(2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(3-phenyl-1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one

C21H24N6O2 — CID 171632426

IUPAC(2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(3-phenyl-1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one
SMILESC[C@H](Nc1nnc(-c2cc(-c3ccccc3)n[nH]2)o1)C(=O)N1CCC2(CC1)CC2
InChIInChI=1S/C21H24N6O2/c1-14(19(28)27-11-9-21(7-8-21)10-12-27)22-20-26-25-18(29-20)17-13-16(23-24-17)15-5-3-2-4-6-15/h2-6,13-14H,7-12H2,1H3,(H,22,26)(H,23,24)/t14-/m0/s1
InChIKeyJIENLLDDPLCRDP-AWEZNQCLSA-N
MW392.46 g/mol
LogP3.33
Rot. Bonds5

About (2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(3-phenyl-1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one

(2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(3-phenyl-1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one (PubChem CID 171632426) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is (2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(3-phenyl-1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one.

Molecular Properties

Compound Name(2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(3-phenyl-1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one
PubChem CID171632426
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name(2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(3-phenyl-1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one
SMILESC[C@H](Nc1nnc(-c2cc(-c3ccccc3)n[nH]2)o1)C(=O)N1CCC2(CC1)CC2
InChIInChI=1S/C21H24N6O2/c1-14(19(28)27-11-9-21(7-8-21)10-12-27)22-20-26-25-18(29-20)17-13-16(23-24-17)15-5-3-2-4-6-15/h2-6,13-14H,7-12H2,1H3,(H,22,26)(H,23,24)/t14-/m0/s1
InChIKeyJIENLLDDPLCRDP-AWEZNQCLSA-N
XLogP3.33
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(3-phenyl-1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one?
The IUPAC name of (2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(3-phenyl-1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one (CID 171632426) is (2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(3-phenyl-1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one.
What is the SMILES notation for (2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(3-phenyl-1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one?
The canonical SMILES for (2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(3-phenyl-1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one is C[C@H](Nc1nnc(-c2cc(-c3ccccc3)n[nH]2)o1)C(=O)N1CCC2(CC1)CC2.
What is the InChIKey of (2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(3-phenyl-1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one?
The InChIKey is JIENLLDDPLCRDP-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-14(19(28)27-11-9-21(7-8-21)10-12-27)22-20-26-25-18(29-20)17-13-16(23-24-17)15-5-3-2-4-6-15/h2-6,13-14H,7-12H2,1H3,(H,22,26)(H,23,24)/t14-/m0/s1.
What are the key properties of (2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(3-phenyl-1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one?
(2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(3-phenyl-1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one has a molecular weight of 392.46 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(3-phenyl-1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one is sourced from PubChem (CID 171632426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).